SCHEMBL15737406

SCHEMBL15737406

Cc1nc2ccc(CN3CCC(O)C3)cc2n2c(-c3ccccc3Cl)nnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 20/20 1.00
▸ PDE10A Q9Y233 8/20 0.90
▸ PDE6D O43924 1/20 0.71
▸ PDE6A P16499 1/20 0.71
▸ PDE6G P18545 1/20 0.71
▸ PDE6B P35913 1/20 0.71
▸ PDE6C P51160 1/20 0.71
▸ PDE1B Q01064 1/20 0.71
▸ PDE7A Q13946 1/20 0.71
▸ PDE6H Q13956 1/20 0.71
▸ PDE3A Q14432 1/20 0.71

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14359940 0.95 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14359638 0.95 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14361929 0.88 PDE2A (0.84) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14362311 0.87 PDE2A (0.77) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL15738435 0.86 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14361961 0.86 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14359658 0.86 PDE2A (0.80) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14362151 0.84 PDE2A (0.81) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL14361880 0.84 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL15737176 0.84 PDE2A (0.74) PDE2APDE10APDE6DPDE6APDE6G

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723744-B1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-23 — — EP claimed
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 — — US claimed
US-10604523-B2 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives JANSSEN PHARMACEUTICA NV (BE) 2020-03-31 — — US disclosed
EP-2723744-B1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-23 — — EP disclosed
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A PDE2A 1/4885PDE10A 10/4885PDE6D 24/4885
US-10604523-B2 1-aryl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline derivatives PDE2A, PDE12, PDE5A PDE2A 1/4885PDE10A 10/4885PDE6D 24/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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